6-oxidanylidene-5-(5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: 6-oxidanylidene-5-(5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-1,3-diene-1-carboxylate Openeye Name: 6-oxo-5-(5-thioxo-1,2,4-triazolidin-3-ylidene)cyclohexa-1,3-diene-1-carboxylate CAS Name: 6-oxo-5-(5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-1-cyclohexa-1,3-dienecarboxylate IUPAC Name: 6-oxo-5-(5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-1,3-diene-1-carboxylate Traditional Name: 6-keto-5-(5-thioxo-1,2,4-triazolidin-3-ylidene)cyclohexa-1,3-diene-1-carboxylate Formula: C9H6N3O3S- MolecularWeight: 236.22724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2NC(=S)NN2)C(=O)C(=C1)C(=O)[O-]

Isomeric SMILES

C1=CC(=C2NC(=S)NN2)C(=O)C(=C1)C(=O)[O-]

InChI

InChI=1S/C9H7N3O3S/c13-6-4(7-10-9(16)12-11-7)2-1-3-5(6)8(14)15/h1-3,11H,(H,14,15)(H2,10,12,16)/p-1